BDBM50356996 CHEMBL1916252

SMILES: CC1(C)[C@H](NC(=O)c2ccn(CCC#N)n2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1

InChI Key: InChIKey=PKZKNOIUSVWNMX-MXVIHJGJSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50356996   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Androgen Receptor (Homo sapiens (Human))	BDBM50356996 (CHEMBL1916252) Show SMILES CC1(C)[C@H](NC(=O)c2ccn(CCC#N)n2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1 |r,wU:3.3,wD:19.21,(16.79,-47.6,;17.21,-46.12,;15.7,-46.51,;18.75,-46.12,;20.09,-46.86,;20.12,-48.4,;18.81,-49.2,;21.47,-49.15,;21.49,-50.68,;22.96,-51.14,;23.85,-49.88,;25.39,-49.87,;26.18,-51.19,;27.72,-51.18,;29.25,-51.16,;22.93,-48.65,;18.75,-44.58,;19.13,-43.08,;20.22,-44.97,;17.21,-44.58,;15.88,-43.8,;15.88,-42.26,;14.55,-41.5,;14.55,-39.96,;15.89,-39.19,;15.9,-37.65,;15.9,-36.12,;17.22,-39.96,;18.56,-39.2,;17.22,-41.5,)| Show InChI InChI=1S/C22H24ClN5O2/c1-21(2)19(26-18(29)17-8-11-28(27-17)10-5-9-24)22(3,4)20(21)30-15-7-6-14(13-25)16(23)12-15/h6-8,11-12,19-20H,5,10H2,1-4H3,(H,26,29)/t19-,20-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human AR overexpressed in human LNCAP cells by luciferase reporter gene assay				J Med Chem 54: 7693-704 (2011) Article DOI: 10.1021/jm201059s BindingDB Entry DOI: 10.7270/Q2348KS9
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